N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine

C18H31NO — CID 64863841

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine
SMILESCCOC1CC(NCCC2=CCCCC2)C12CCCC2
InChIInChI=1S/C18H31NO/c1-2-20-17-14-16(18(17)11-6-7-12-18)19-13-10-15-8-4-3-5-9-15/h8,16-17,19H,2-7,9-14H2,1H3
InChIKeyUGPMZNWFSSFXFY-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.20
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine

N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine (PubChem CID 64863841) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine
PubChem CID64863841
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine
SMILESCCOC1CC(NCCC2=CCCCC2)C12CCCC2
InChIInChI=1S/C18H31NO/c1-2-20-17-14-16(18(17)11-6-7-12-18)19-13-10-15-8-4-3-5-9-15/h8,16-17,19H,2-7,9-14H2,1H3
InChIKeyUGPMZNWFSSFXFY-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine (CID 64863841) is N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine is CCOC1CC(NCCC2=CCCCC2)C12CCCC2.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine?
The InChIKey is UGPMZNWFSSFXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-2-20-17-14-16(18(17)11-6-7-12-18)19-13-10-15-8-4-3-5-9-15/h8,16-17,19H,2-7,9-14H2,1H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine?
N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine is sourced from PubChem (CID 64863841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).